Vitas-M small molecule compound

ethyl [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino](oxo)acetate

Catalog ID
STL168519
SMILES CCOC(=O)C(=O)Nc1sc2c(c1C#N)CCC(C2)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C14H16N2O3S MW 292.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3S/c1-3-19-14(18)12(17)16-13-10(7-15)9-5-4-8(2)6-11(9)20-13/h8H,3-6H2,1-2H3,(H,16,17)
InChIKey
CNSKURFJNHRIDZ-UHFFFAOYSA-N
Synonyms
676581-35-4
676581354
CCOC(=O)C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N
ethyl((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)(oxo)acetate
ethyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)2oxoacetate
InChI=1SC14H16N2O3Sc131914(18)12(17)161310(715)9548(2)611(9)2013h8H36H212H3(H1617)
MFCD04045721
ZINC000002787625
ZINC000002787626

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.